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Chemical ID: 4236393
Chemical ID:
4236393
Name [?]:
N-[(4-bromophenyl)methyl]-2-(1H-indol-3-yl)-2-oxo-acetamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)NCc3ccc(cc3)Br
InChi [?]:
InChI=1/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,18,20,15,8,16,19,5,7,4,10,12,22,9,14,11,13/E:(5,6)(7,8)/rA:22nCCCCCCCCNCOCONCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9056 |
Area: | 514.563 |
Solvation: | -1.95844 |
Coulombic: | -45.9344 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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